SCHEMBL21047700

SCHEMBL21047700

O=C1CCC(Oc2nc3ccccc3s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.43
PTGS2 P35354 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 8/20 0.41
KCNH2 Q12809 4/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14282259 0.80 MEN1 (0.59) PTGS1PTGS2CYP1A2CYP2C19CYP3A4
SCHEMBL22048013 0.75 KMT2A (0.65) CYP1A2CYP2C19CYP3A4SMN1; SMN2LMNA
SCHEMBL26933000 0.75 LTA4H (0.46) PTGS1PTGS2CYP1A2CYP2C19CYP3A4
SCHEMBL26932996 0.75 LTA4H (0.46) PTGS1PTGS2CYP1A2CYP2C19CYP3A4
SCHEMBL21047847 0.75 ALDH1A1 (0.46) CYP1A2CYP2C19CYP2D6SMN1; SMN2PDE10A
SCHEMBL21047609 0.74 CYP2A6 (0.38) PTGS1PTGS2HCRTR1HCRTR2
SCHEMBL29586286 0.74 CYP2A6 (0.38) PTGS1PTGS2HCRTR1HCRTR2
SCHEMBL9366214 0.72 SLC6A2 (0.54) CYP3A4CYP2D6LTA4HKCNH2LMNA
SCHEMBL1178575 0.72 SLC6A2 (0.54) CYP3A4CYP2D6LTA4HKCNH2LMNA
SCHEMBL1178574 0.72 SLC6A2 (0.54) CYP3A4CYP2D6LTA4HKCNH2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS PTGS1 1865/4885PTGS2 2604/4885CYP1A2 212/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS PTGS1 1865/4885PTGS2 2604/4885CYP1A2 212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.